Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL28065949

C=CC(=O)OC.C=CC=C.N#CC=CC=Cc1ccccc1

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MCL1 Q07820 2/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAOB P27338 4/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acrylic Acid Methyl Ester SCHEMBL78003 0.97 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
Acrylic Acid Methyl Ester SCHEMBL27994391 0.89 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
Acrylic Acid SCHEMBL11151829 0.87 MCL1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
Butadiene SCHEMBL10346224 0.86 LMNA (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11422112 0.84 GLA (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
Acrylic Acid Methyl Ester SCHEMBL1856229 0.84 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
Acrylic Acid Methyl Ester SCHEMBL27395677 0.84 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
Acrylic Acid SCHEMBL1720420 0.84 MAOB (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
Acrylic Acid SCHEMBL237879 0.84 MAOB (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
Butadiene SCHEMBL116599 0.84 MAOB (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810457-A A kind of plexiglass/butadiene graft polymer composition and preparation method thereof 万华化学集团股份有限公司 2019-05-28 CN claimed
CN-105579537-A Adhesive composition TOAGOSEI CO LTD 2016-05-11 CN disclosed